N-[2-(diethylamino)ethyl]-4-[(5,11-dimethyl-6-oxopyrido[4,3-b][1,4]benzodiazepin-2-yl)amino]-3-ethoxy-N-methylbenzamide;2-[[4-(4,5-dihydro-1,3-oxazol-2-ylmethyl)cyclohexyl]amino]-5,11-dimethylpyrido[4,3-b][1,4]benzodiazepin-6-one;N-(1,3-dihydroxypropan-2-yl)-4-[(5,11-dimethyl-6-oxopyrido[4,3-b][1,4]benzodiazepin-2-yl)amino]benzamide;4-[(5,11-dimethyl-6-oxopyrido[4,3-b][1,4]benzodiazepin-2-yl)amino]-3-ethoxy-N-[2-(4-methylpiperazin-1-yl)ethyl]benzamide;5,11-dimethyl-2-[[4-(pyrimidin-2-ylmethyl)cyclohexyl]amino]pyrido[4,3-b][1,4]benzodiazepin-6-one;5,11-dimethyl-2-[4-[[(3S)-3-pyrrolidin-1-ylpyrrolidin-1-yl]methyl]anilino]pyrido[4,3-b][1,4]benzodiazepin-6-one;13-[2-ethoxy-4-[(3S)-3-ethylpyrrolidine-1-carbonyl]anilino]-2,9-dimethyl-6-oxa-2,9,12-triazatricyclo[8.4.0.03,7]tetradeca-1(14),3(7),4,10,12-pentaen-8-one;5-[2-ethoxy-4-[4-(4-methylpiperazin-1-yl)piperidine-1-carbonyl]anilino]-2,9-dimethyl-2,6,9,12-tetrazatricyclo[9.4.0.03,8]pentadeca-1(11),3,5,7,12,14-hexaen-10-one;2-[2-ethoxy-4-(4-pyrrolidin-1-ylpiperidine-1-carbonyl)anilino]-5,11-dimethylpyrido[4,3-b][1,4]benzodiazepin-6-one;2-(4-methoxy-2-methylanilino)-5,11-dimethylpyrido[4,3-b][1,4]benzodiazepin-6-one

C275H322N58O26 — CID 160903862

About N-[2-(diethylamino)ethyl]-4-[(5,11-dimethyl-6-oxopyrido[4,3-b][1,4]benzodiazepin-2-yl)amino]-3-ethoxy-N-methylbenzamide;2-[[4-(4,5-dihydro-1,3-oxazol-2-ylmethyl)cyclohexyl]amino]-5,11-dimethylpyrido[4,3-b][1,4]benzodiazepin-6-one;N-(1,3-dihydroxypropan-2-yl)-4-[(5,11-dimethyl-6-oxopyrido[4,3-b][1,4]benzodiazepin-2-yl)amino]benzamide;4-[(5,11-dimethyl-6-oxopyrido[4,3-b][1,4]benzodiazepin-2-yl)amino]-3-ethoxy-N-[2-(4-methylpiperazin-1-yl)ethyl]benzamide;5,11-dimethyl-2-[[4-(pyrimidin-2-ylmethyl)cyclohexyl]amino]pyrido[4,3-b][1,4]benzodiazepin-6-one;5,11-dimethyl-2-[4-[[(3S)-3-pyrrolidin-1-ylpyrrolidin-1-yl]methyl]anilino]pyrido[4,3-b][1,4]benzodiazepin-6-one;13-[2-ethoxy-4-[(3S)-3-ethylpyrrolidine-1-carbonyl]anilino]-2,9-dimethyl-6-oxa-2,9,12-triazatricyclo[8.4.0.03,7]tetradeca-1(14),3(7),4,10,12-pentaen-8-one;5-[2-ethoxy-4-[4-(4-methylpiperazin-1-yl)piperidine-1-carbonyl]anilino]-2,9-dimethyl-2,6,9,12-tetrazatricyclo[9.4.0.03,8]pentadeca-1(11),3,5,7,12,14-hexaen-10-one;2-[2-ethoxy-4-(4-pyrrolidin-1-ylpiperidine-1-carbonyl)anilino]-5,11-dimethylpyrido[4,3-b][1,4]benzodiazepin-6-one;2-(4-methoxy-2-methylanilino)-5,11-dimethylpyrido[4,3-b][1,4]benzodiazepin-6-one

N-[2-(diethylamino)ethyl]-4-[(5,11-dimethyl-6-oxopyrido[4,3-b][1,4]benzodiazepin-2-yl)amino]-3-ethoxy-N-methylbenzamide;2-[[4-(4,5-dihydro-1,3-oxazol-2-ylmethyl)cyclohexyl]amino]-5,11-dimethylpyrido[4,3-b][1,4]benzodiazepin-6-one;N-(1,3-dihydroxypropan-2-yl)-4-[(5,11-dimethyl-6-oxopyrido[4,3-b][1,4]benzodiazepin-2-yl)amino]benzamide;4-[(5,11-dimethyl-6-oxopyrido[4,3-b][1,4]benzodiazepin-2-yl)amino]-3-ethoxy-N-[2-(4-methylpiperazin-1-yl)ethyl]benzamide;5,11-dimethyl-2-[[4-(pyrimidin-2-ylmethyl)cyclohexyl]amino]pyrido[4,3-b][1,4]benzodiazepin-6-one;5,11-dimethyl-2-[4-[[(3S)-3-pyrrolidin-1-ylpyrrolidin-1-yl]methyl]anilino]pyrido[4,3-b][1,4]benzodiazepin-6-one;13-[2-ethoxy-4-[(3S)-3-ethylpyrrolidine-1-carbonyl]anilino]-2,9-dimethyl-6-oxa-2,9,12-triazatricyclo[8.4.0.03,7]tetradeca-1(14),3(7),4,10,12-pentaen-8-one;5-[2-ethoxy-4-[4-(4-methylpiperazin-1-yl)piperidine-1-carbonyl]anilino]-2,9-dimethyl-2,6,9,12-tetrazatricyclo[9.4.0.03,8]pentadeca-1(11),3,5,7,12,14-hexaen-10-one;2-[2-ethoxy-4-(4-pyrrolidin-1-ylpiperidine-1-carbonyl)anilino]-5,11-dimethylpyrido[4,3-b][1,4]benzodiazepin-6-one;2-(4-methoxy-2-methylanilino)-5,11-dimethylpyrido[4,3-b][1,4]benzodiazepin-6-one (PubChem CID 160903862) has the molecular formula C275H322N58O26 and a molecular weight of 4855.98 g/mol. Its IUPAC name is N-[2-(diethylamino)ethyl]-4-[(5,11-dimethyl-6-oxopyrido[4,3-b][1,4]benzodiazepin-2-yl)amino]-3-ethoxy-N-methylbenzamide;2-[[4-(4,5-dihydro-1,3-oxazol-2-ylmethyl)cyclohexyl]amino]-5,11-dimethylpyrido[4,3-b][1,4]benzodiazepin-6-one;N-(1,3-dihydroxypropan-2-yl)-4-[(5,11-dimethyl-6-oxopyrido[4,3-b][1,4]benzodiazepin-2-yl)amino]benzamide;4-[(5,11-dimethyl-6-oxopyrido[4,3-b][1,4]benzodiazepin-2-yl)amino]-3-ethoxy-N-[2-(4-methylpiperazin-1-yl)ethyl]benzamide;5,11-dimethyl-2-[[4-(pyrimidin-2-ylmethyl)cyclohexyl]amino]pyrido[4,3-b][1,4]benzodiazepin-6-one;5,11-dimethyl-2-[4-[[(3S)-3-pyrrolidin-1-ylpyrrolidin-1-yl]methyl]anilino]pyrido[4,3-b][1,4]benzodiazepin-6-one;13-[2-ethoxy-4-[(3S)-3-ethylpyrrolidine-1-carbonyl]anilino]-2,9-dimethyl-6-oxa-2,9,12-triazatricyclo[8.4.0.03,7]tetradeca-1(14),3(7),4,10,12-pentaen-8-one;5-[2-ethoxy-4-[4-(4-methylpiperazin-1-yl)piperidine-1-carbonyl]anilino]-2,9-dimethyl-2,6,9,12-tetrazatricyclo[9.4.0.03,8]pentadeca-1(11),3,5,7,12,14-hexaen-10-one;2-[2-ethoxy-4-(4-pyrrolidin-1-ylpiperidine-1-carbonyl)anilino]-5,11-dimethylpyrido[4,3-b][1,4]benzodiazepin-6-one;2-(4-methoxy-2-methylanilino)-5,11-dimethylpyrido[4,3-b][1,4]benzodiazepin-6-one.

Molecular Properties

• Compound Name: N-[2-(diethylamino)ethyl]-4-[(5,11-dimethyl-6-oxopyrido[4,3-b][1,4]benzodiazepin-2-yl)amino]-3-ethoxy-N-methylbenzamide;2-[[4-(4,5-dihydro-1,3-oxazol-2-ylmethyl)cyclohexyl]amino]-5,11-dimethylpyrido[4,3-b][1,4]benzodiazepin-6-one;N-(1,3-dihydroxypropan-2-yl)-4-[(5,11-dimethyl-6-oxopyrido[4,3-b][1,4]benzodiazepin-2-yl)amino]benzamide;4-[(5,11-dimethyl-6-oxopyrido[4,3-b][1,4]benzodiazepin-2-yl)amino]-3-ethoxy-N-[2-(4-methylpiperazin-1-yl)ethyl]benzamide;5,11-dimethyl-2-[[4-(pyrimidin-2-ylmethyl)cyclohexyl]amino]pyrido[4,3-b][1,4]benzodiazepin-6-one;5,11-dimethyl-2-[4-[[(3S)-3-pyrrolidin-1-ylpyrrolidin-1-yl]methyl]anilino]pyrido[4,3-b][1,4]benzodiazepin-6-one;13-[2-ethoxy-4-[(3S)-3-ethylpyrrolidine-1-carbonyl]anilino]-2,9-dimethyl-6-oxa-2,9,12-triazatricyclo[8.4.0.03,7]tetradeca-1(14),3(7),4,10,12-pentaen-8-one;5-[2-ethoxy-4-[4-(4-methylpiperazin-1-yl)piperidine-1-carbonyl]anilino]-2,9-dimethyl-2,6,9,12-tetrazatricyclo[9.4.0.03,8]pentadeca-1(11),3,5,7,12,14-hexaen-10-one;2-[2-ethoxy-4-(4-pyrrolidin-1-ylpiperidine-1-carbonyl)anilino]-5,11-dimethylpyrido[4,3-b][1,4]benzodiazepin-6-one;2-(4-methoxy-2-methylanilino)-5,11-dimethylpyrido[4,3-b][1,4]benzodiazepin-6-one
• PubChem CID: 160903862
• Molecular Formula: C275H322N58O26
• Molecular Weight: 4855.98 g/mol
• Exact Mass: 4852.57
• IUPAC Name: N-[2-(diethylamino)ethyl]-4-[(5,11-dimethyl-6-oxopyrido[4,3-b][1,4]benzodiazepin-2-yl)amino]-3-ethoxy-N-methylbenzamide;2-[[4-(4,5-dihydro-1,3-oxazol-2-ylmethyl)cyclohexyl]amino]-5,11-dimethylpyrido[4,3-b][1,4]benzodiazepin-6-one;N-(1,3-dihydroxypropan-2-yl)-4-[(5,11-dimethyl-6-oxopyrido[4,3-b][1,4]benzodiazepin-2-yl)amino]benzamide;4-[(5,11-dimethyl-6-oxopyrido[4,3-b][1,4]benzodiazepin-2-yl)amino]-3-ethoxy-N-[2-(4-methylpiperazin-1-yl)ethyl]benzamide;5,11-dimethyl-2-[[4-(pyrimidin-2-ylmethyl)cyclohexyl]amino]pyrido[4,3-b][1,4]benzodiazepin-6-one;5,11-dimethyl-2-[4-[[(3S)-3-pyrrolidin-1-ylpyrrolidin-1-yl]methyl]anilino]pyrido[4,3-b][1,4]benzodiazepin-6-one;13-[2-ethoxy-4-[(3S)-3-ethylpyrrolidine-1-carbonyl]anilino]-2,9-dimethyl-6-oxa-2,9,12-triazatricyclo[8.4.0.03,7]tetradeca-1(14),3(7),4,10,12-pentaen-8-one;5-[2-ethoxy-4-[4-(4-methylpiperazin-1-yl)piperidine-1-carbonyl]anilino]-2,9-dimethyl-2,6,9,12-tetrazatricyclo[9.4.0.03,8]pentadeca-1(11),3,5,7,12,14-hexaen-10-one;2-[2-ethoxy-4-(4-pyrrolidin-1-ylpiperidine-1-carbonyl)anilino]-5,11-dimethylpyrido[4,3-b][1,4]benzodiazepin-6-one;2-(4-methoxy-2-methylanilino)-5,11-dimethylpyrido[4,3-b][1,4]benzodiazepin-6-one
• SMILES: CCOc1cc(C(=O)N(C)CCN(CC)CC)ccc1Nc1cc2c(cn1)N(C)C(=O)c1ccccc1N2C.CCOc1cc(C(=O)N2CCC(N3CCCC3)CC2)ccc1Nc1cc2c(cn1)N(C)C(=O)c1ccccc1N2C.CCOc1cc(C(=O)N2CCC(N3CCN(C)CC3)CC2)ccc1Nc1cc2c(cn1)N(C)C(=O)c1ncccc1N2C.CCOc1cc(C(=O)N2CC[C@H](CC)C2)ccc1Nc1cc2c(cn1)N(C)C(=O)c1occc1N2C.CCOc1cc(C(=O)NCCN2CCN(C)CC2)ccc1Nc1cc2c(cn1)N(C)C(=O)c1ccccc1N2C.CN1C(=O)c2ccccc2N(C)c2cc(NC3CCC(CC4=NCCO4)CC3)ncc21.CN1C(=O)c2ccccc2N(C)c2cc(NC3CCC(Cc4ncccn4)CC3)ncc21.CN1C(=O)c2ccccc2N(C)c2cc(Nc3ccc(C(=O)NC(CO)CO)cc3)ncc21.CN1C(=O)c2ccccc2N(C)c2cc(Nc3ccc(CN4CC[C@H](N5CCCC5)C4)cc3)ncc21.COc1ccc(Nc2cc3c(cn2)N(C)C(=O)c2ccccc2N3C)c(C)c1
• InChI: InChI=1S/C32H40N8O3.C32H38N6O3.C30H37N7O3.C30H38N6O3.C29H34N6O.C27H31N5O4.C25H28N6O.C24H25N5O4.C24H29N5O2.C22H22N4O2/c1-5-43-28-19-22(31(41)40-13-10-23(11-14-40)39-17-15-36(2)16-18-39)8-9-24(28)35-29-20-26-27(21-34-29)38(4)32(42)30-25(37(26)3)7-6-12-33-30;1-4-41-29-19-22(31(39)38-17-13-23(14-18-38)37-15-7-8-16-37)11-12-25(29)34-30-20-27-28(21-33-30)36(3)32(40)24-9-5-6-10-26(24)35(27)2;1-5-40-27-18-21(29(38)31-12-13-37-16-14-34(2)15-17-37)10-11-23(27)33-28-19-25-26(20-32-28)36(4)30(39)22-8-6-7-9-24(22)35(25)3;1-7-36(8-2)17-16-33(4)29(37)21-14-15-23(27(18-21)39-9-3)32-28-19-25-26(20-31-28)35(6)30(38)22-12-10-11-13-24(22)34(25)5;1-32-25-8-4-3-7-24(25)29(36)33(2)27-18-30-28(17-26(27)32)31-22-11-9-21(10-12-22)19-34-16-13-23(20-34)35-14-5-6-15-35;1-5-17-9-11-32(16-17)26(33)18-7-8-19(23(13-18)35-6-2)29-24-14-21-22(15-28-24)31(4)27(34)25-20(30(21)3)10-12-36-25;1-30-20-7-4-3-6-19(20)25(32)31(2)22-16-28-24(15-21(22)30)29-18-10-8-17(9-11-18)14-23-26-12-5-13-27-23;1-28-19-6-4-3-5-18(19)24(33)29(2)21-12-25-22(11-20(21)28)26-16-9-7-15(8-10-16)23(32)27-17(13-30)14-31;1-28-19-6-4-3-5-18(19)24(30)29(2)21-15-26-22(14-20(21)28)27-17-9-7-16(8-10-17)13-23-25-11-12-31-23;1-14-11-15(28-4)9-10-17(14)24-21-12-19-20(13-23-21)26(3)22(27)16-7-5-6-8-18(16)25(19)2/h6-9,12,19-21,23H,5,10-11,13-18H2,1-4H3,(H,34,35);5-6,9-12,19-21,23H,4,7-8,13-18H2,1-3H3,(H,33,34);6-11,18-20H,5,12-17H2,1-4H3,(H,31,38)(H,32,33);10-15,18-20H,7-9,16-17H2,1-6H3,(H,31,32);3-4,7-12,17-18,23H,5-6,13-16,19-20H2,1-2H3,(H,30,31);7-8,10,12-15,17H,5-6,9,11,16H2,1-4H3,(H,28,29);3-7,12-13,15-18H,8-11,14H2,1-2H3,(H,28,29);3-12,17,30-31H,13-14H2,1-2H3,(H,25,26)(H,27,32);3-6,14-17H,7-13H2,1-2H3,(H,26,27);5-13H,1-4H3,(H,23,24)/t;;;;23-;17-;;;;/m....00..../s1
• InChIKey: SPWFBQREMGGRGJ-ZRSGBODJSA-N
• XLogP: 43.00
• TPSA: 819.30 Ų
• H-Bond Donors: 14
• H-Bond Acceptors: 68
• Rotatable Bonds: 58
• Heavy Atoms: 359
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	4855.98
LogP ≤ 5	43.00
H-Bond Donors ≤ 5	14
H-Bond Acceptors ≤ 10	68

Frequently Asked Questions

What is the IUPAC name of N-[2-(diethylamino)ethyl]-4-[(5,11-dimethyl-6-oxopyrido[4,3-b][1,4]benzodiazepin-2-yl)amino]-3-ethoxy-N-methylbenzamide;2-[[4-(4,5-dihydro-1,3-oxazol-2-ylmethyl)cyclohexyl]amino]-5,11-dimethylpyrido[4,3-b][1,4]benzodiazepin-6-one;N-(1,3-dihydroxypropan-2-yl)-4-[(5,11-dimethyl-6-oxopyrido[4,3-b][1,4]benzodiazepin-2-yl)amino]benzamide;4-[(5,11-dimethyl-6-oxopyrido[4,3-b][1,4]benzodiazepin-2-yl)amino]-3-ethoxy-N-[2-(4-methylpiperazin-1-yl)ethyl]benzamide;5,11-dimethyl-2-[[4-(pyrimidin-2-ylmethyl)cyclohexyl]amino]pyrido[4,3-b][1,4]benzodiazepin-6-one;5,11-dimethyl-2-[4-[[(3S)-3-pyrrolidin-1-ylpyrrolidin-1-yl]methyl]anilino]pyrido[4,3-b][1,4]benzodiazepin-6-one;13-[2-ethoxy-4-[(3S)-3-ethylpyrrolidine-1-carbonyl]anilino]-2,9-dimethyl-6-oxa-2,9,12-triazatricyclo[8.4.0.03,7]tetradeca-1(14),3(7),4,10,12-pentaen-8-one;5-[2-ethoxy-4-[4-(4-methylpiperazin-1-yl)piperidine-1-carbonyl]anilino]-2,9-dimethyl-2,6,9,12-tetrazatricyclo[9.4.0.03,8]pentadeca-1(11),3,5,7,12,14-hexaen-10-one;2-[2-ethoxy-4-(4-pyrrolidin-1-ylpiperidine-1-carbonyl)anilino]-5,11-dimethylpyrido[4,3-b][1,4]benzodiazepin-6-one;2-(4-methoxy-2-methylanilino)-5,11-dimethylpyrido[4,3-b][1,4]benzodiazepin-6-one?

The IUPAC name of N-[2-(diethylamino)ethyl]-4-[(5,11-dimethyl-6-oxopyrido[4,3-b][1,4]benzodiazepin-2-yl)amino]-3-ethoxy-N-methylbenzamide;2-[[4-(4,5-dihydro-1,3-oxazol-2-ylmethyl)cyclohexyl]amino]-5,11-dimethylpyrido[4,3-b][1,4]benzodiazepin-6-one;N-(1,3-dihydroxypropan-2-yl)-4-[(5,11-dimethyl-6-oxopyrido[4,3-b][1,4]benzodiazepin-2-yl)amino]benzamide;4-[(5,11-dimethyl-6-oxopyrido[4,3-b][1,4]benzodiazepin-2-yl)amino]-3-ethoxy-N-[2-(4-methylpiperazin-1-yl)ethyl]benzamide;5,11-dimethyl-2-[[4-(pyrimidin-2-ylmethyl)cyclohexyl]amino]pyrido[4,3-b][1,4]benzodiazepin-6-one;5,11-dimethyl-2-[4-[[(3S)-3-pyrrolidin-1-ylpyrrolidin-1-yl]methyl]anilino]pyrido[4,3-b][1,4]benzodiazepin-6-one;13-[2-ethoxy-4-[(3S)-3-ethylpyrrolidine-1-carbonyl]anilino]-2,9-dimethyl-6-oxa-2,9,12-triazatricyclo[8.4.0.03,7]tetradeca-1(14),3(7),4,10,12-pentaen-8-one;5-[2-ethoxy-4-[4-(4-methylpiperazin-1-yl)piperidine-1-carbonyl]anilino]-2,9-dimethyl-2,6,9,12-tetrazatricyclo[9.4.0.03,8]pentadeca-1(11),3,5,7,12,14-hexaen-10-one;2-[2-ethoxy-4-(4-pyrrolidin-1-ylpiperidine-1-carbonyl)anilino]-5,11-dimethylpyrido[4,3-b][1,4]benzodiazepin-6-one;2-(4-methoxy-2-methylanilino)-5,11-dimethylpyrido[4,3-b][1,4]benzodiazepin-6-one (CID 160903862) is N-[2-(diethylamino)ethyl]-4-[(5,11-dimethyl-6-oxopyrido[4,3-b][1,4]benzodiazepin-2-yl)amino]-3-ethoxy-N-methylbenzamide;2-[[4-(4,5-dihydro-1,3-oxazol-2-ylmethyl)cyclohexyl]amino]-5,11-dimethylpyrido[4,3-b][1,4]benzodiazepin-6-one;N-(1,3-dihydroxypropan-2-yl)-4-[(5,11-dimethyl-6-oxopyrido[4,3-b][1,4]benzodiazepin-2-yl)amino]benzamide;4-[(5,11-dimethyl-6-oxopyrido[4,3-b][1,4]benzodiazepin-2-yl)amino]-3-ethoxy-N-[2-(4-methylpiperazin-1-yl)ethyl]benzamide;5,11-dimethyl-2-[[4-(pyrimidin-2-ylmethyl)cyclohexyl]amino]pyrido[4,3-b][1,4]benzodiazepin-6-one;5,11-dimethyl-2-[4-[[(3S)-3-pyrrolidin-1-ylpyrrolidin-1-yl]methyl]anilino]pyrido[4,3-b][1,4]benzodiazepin-6-one;13-[2-ethoxy-4-[(3S)-3-ethylpyrrolidine-1-carbonyl]anilino]-2,9-dimethyl-6-oxa-2,9,12-triazatricyclo[8.4.0.03,7]tetradeca-1(14),3(7),4,10,12-pentaen-8-one;5-[2-ethoxy-4-[4-(4-methylpiperazin-1-yl)piperidine-1-carbonyl]anilino]-2,9-dimethyl-2,6,9,12-tetrazatricyclo[9.4.0.03,8]pentadeca-1(11),3,5,7,12,14-hexaen-10-one;2-[2-ethoxy-4-(4-pyrrolidin-1-ylpiperidine-1-carbonyl)anilino]-5,11-dimethylpyrido[4,3-b][1,4]benzodiazepin-6-one;2-(4-methoxy-2-methylanilino)-5,11-dimethylpyrido[4,3-b][1,4]benzodiazepin-6-one.

What is the SMILES notation for N-[2-(diethylamino)ethyl]-4-[(5,11-dimethyl-6-oxopyrido[4,3-b][1,4]benzodiazepin-2-yl)amino]-3-ethoxy-N-methylbenzamide;2-[[4-(4,5-dihydro-1,3-oxazol-2-ylmethyl)cyclohexyl]amino]-5,11-dimethylpyrido[4,3-b][1,4]benzodiazepin-6-one;N-(1,3-dihydroxypropan-2-yl)-4-[(5,11-dimethyl-6-oxopyrido[4,3-b][1,4]benzodiazepin-2-yl)amino]benzamide;4-[(5,11-dimethyl-6-oxopyrido[4,3-b][1,4]benzodiazepin-2-yl)amino]-3-ethoxy-N-[2-(4-methylpiperazin-1-yl)ethyl]benzamide;5,11-dimethyl-2-[[4-(pyrimidin-2-ylmethyl)cyclohexyl]amino]pyrido[4,3-b][1,4]benzodiazepin-6-one;5,11-dimethyl-2-[4-[[(3S)-3-pyrrolidin-1-ylpyrrolidin-1-yl]methyl]anilino]pyrido[4,3-b][1,4]benzodiazepin-6-one;13-[2-ethoxy-4-[(3S)-3-ethylpyrrolidine-1-carbonyl]anilino]-2,9-dimethyl-6-oxa-2,9,12-triazatricyclo[8.4.0.03,7]tetradeca-1(14),3(7),4,10,12-pentaen-8-one;5-[2-ethoxy-4-[4-(4-methylpiperazin-1-yl)piperidine-1-carbonyl]anilino]-2,9-dimethyl-2,6,9,12-tetrazatricyclo[9.4.0.03,8]pentadeca-1(11),3,5,7,12,14-hexaen-10-one;2-[2-ethoxy-4-(4-pyrrolidin-1-ylpiperidine-1-carbonyl)anilino]-5,11-dimethylpyrido[4,3-b][1,4]benzodiazepin-6-one;2-(4-methoxy-2-methylanilino)-5,11-dimethylpyrido[4,3-b][1,4]benzodiazepin-6-one?

The canonical SMILES for N-[2-(diethylamino)ethyl]-4-[(5,11-dimethyl-6-oxopyrido[4,3-b][1,4]benzodiazepin-2-yl)amino]-3-ethoxy-N-methylbenzamide;2-[[4-(4,5-dihydro-1,3-oxazol-2-ylmethyl)cyclohexyl]amino]-5,11-dimethylpyrido[4,3-b][1,4]benzodiazepin-6-one;N-(1,3-dihydroxypropan-2-yl)-4-[(5,11-dimethyl-6-oxopyrido[4,3-b][1,4]benzodiazepin-2-yl)amino]benzamide;4-[(5,11-dimethyl-6-oxopyrido[4,3-b][1,4]benzodiazepin-2-yl)amino]-3-ethoxy-N-[2-(4-methylpiperazin-1-yl)ethyl]benzamide;5,11-dimethyl-2-[[4-(pyrimidin-2-ylmethyl)cyclohexyl]amino]pyrido[4,3-b][1,4]benzodiazepin-6-one;5,11-dimethyl-2-[4-[[(3S)-3-pyrrolidin-1-ylpyrrolidin-1-yl]methyl]anilino]pyrido[4,3-b][1,4]benzodiazepin-6-one;13-[2-ethoxy-4-[(3S)-3-ethylpyrrolidine-1-carbonyl]anilino]-2,9-dimethyl-6-oxa-2,9,12-triazatricyclo[8.4.0.03,7]tetradeca-1(14),3(7),4,10,12-pentaen-8-one;5-[2-ethoxy-4-[4-(4-methylpiperazin-1-yl)piperidine-1-carbonyl]anilino]-2,9-dimethyl-2,6,9,12-tetrazatricyclo[9.4.0.03,8]pentadeca-1(11),3,5,7,12,14-hexaen-10-one;2-[2-ethoxy-4-(4-pyrrolidin-1-ylpiperidine-1-carbonyl)anilino]-5,11-dimethylpyrido[4,3-b][1,4]benzodiazepin-6-one;2-(4-methoxy-2-methylanilino)-5,11-dimethylpyrido[4,3-b][1,4]benzodiazepin-6-one is CCOc1cc(C(=O)N(C)CCN(CC)CC)ccc1Nc1cc2c(cn1)N(C)C(=O)c1ccccc1N2C.CCOc1cc(C(=O)N2CCC(N3CCCC3)CC2)ccc1Nc1cc2c(cn1)N(C)C(=O)c1ccccc1N2C.CCOc1cc(C(=O)N2CCC(N3CCN(C)CC3)CC2)ccc1Nc1cc2c(cn1)N(C)C(=O)c1ncccc1N2C.CCOc1cc(C(=O)N2CC[C@H](CC)C2)ccc1Nc1cc2c(cn1)N(C)C(=O)c1occc1N2C.CCOc1cc(C(=O)NCCN2CCN(C)CC2)ccc1Nc1cc2c(cn1)N(C)C(=O)c1ccccc1N2C.CN1C(=O)c2ccccc2N(C)c2cc(NC3CCC(CC4=NCCO4)CC3)ncc21.CN1C(=O)c2ccccc2N(C)c2cc(NC3CCC(Cc4ncccn4)CC3)ncc21.CN1C(=O)c2ccccc2N(C)c2cc(Nc3ccc(C(=O)NC(CO)CO)cc3)ncc21.CN1C(=O)c2ccccc2N(C)c2cc(Nc3ccc(CN4CC[C@H](N5CCCC5)C4)cc3)ncc21.COc1ccc(Nc2cc3c(cn2)N(C)C(=O)c2ccccc2N3C)c(C)c1.

What is the InChIKey of N-[2-(diethylamino)ethyl]-4-[(5,11-dimethyl-6-oxopyrido[4,3-b][1,4]benzodiazepin-2-yl)amino]-3-ethoxy-N-methylbenzamide;2-[[4-(4,5-dihydro-1,3-oxazol-2-ylmethyl)cyclohexyl]amino]-5,11-dimethylpyrido[4,3-b][1,4]benzodiazepin-6-one;N-(1,3-dihydroxypropan-2-yl)-4-[(5,11-dimethyl-6-oxopyrido[4,3-b][1,4]benzodiazepin-2-yl)amino]benzamide;4-[(5,11-dimethyl-6-oxopyrido[4,3-b][1,4]benzodiazepin-2-yl)amino]-3-ethoxy-N-[2-(4-methylpiperazin-1-yl)ethyl]benzamide;5,11-dimethyl-2-[[4-(pyrimidin-2-ylmethyl)cyclohexyl]amino]pyrido[4,3-b][1,4]benzodiazepin-6-one;5,11-dimethyl-2-[4-[[(3S)-3-pyrrolidin-1-ylpyrrolidin-1-yl]methyl]anilino]pyrido[4,3-b][1,4]benzodiazepin-6-one;13-[2-ethoxy-4-[(3S)-3-ethylpyrrolidine-1-carbonyl]anilino]-2,9-dimethyl-6-oxa-2,9,12-triazatricyclo[8.4.0.03,7]tetradeca-1(14),3(7),4,10,12-pentaen-8-one;5-[2-ethoxy-4-[4-(4-methylpiperazin-1-yl)piperidine-1-carbonyl]anilino]-2,9-dimethyl-2,6,9,12-tetrazatricyclo[9.4.0.03,8]pentadeca-1(11),3,5,7,12,14-hexaen-10-one;2-[2-ethoxy-4-(4-pyrrolidin-1-ylpiperidine-1-carbonyl)anilino]-5,11-dimethylpyrido[4,3-b][1,4]benzodiazepin-6-one;2-(4-methoxy-2-methylanilino)-5,11-dimethylpyrido[4,3-b][1,4]benzodiazepin-6-one?

The InChIKey is SPWFBQREMGGRGJ-ZRSGBODJSA-N. The full InChI is InChI=1S/C32H40N8O3.C32H38N6O3.C30H37N7O3.C30H38N6O3.C29H34N6O.C27H31N5O4.C25H28N6O.C24H25N5O4.C24H29N5O2.C22H22N4O2/c1-5-43-28-19-22(31(41)40-13-10-23(11-14-40)39-17-15-36(2)16-18-39)8-9-24(28)35-29-20-26-27(21-34-29)38(4)32(42)30-25(37(26)3)7-6-12-33-30;1-4-41-29-19-22(31(39)38-17-13-23(14-18-38)37-15-7-8-16-37)11-12-25(29)34-30-20-27-28(21-33-30)36(3)32(40)24-9-5-6-10-26(24)35(27)2;1-5-40-27-18-21(29(38)31-12-13-37-16-14-34(2)15-17-37)10-11-23(27)33-28-19-25-26(20-32-28)36(4)30(39)22-8-6-7-9-24(22)35(25)3;1-7-36(8-2)17-16-33(4)29(37)21-14-15-23(27(18-21)39-9-3)32-28-19-25-26(20-31-28)35(6)30(38)22-12-10-11-13-24(22)34(25)5;1-32-25-8-4-3-7-24(25)29(36)33(2)27-18-30-28(17-26(27)32)31-22-11-9-21(10-12-22)19-34-16-13-23(20-34)35-14-5-6-15-35;1-5-17-9-11-32(16-17)26(33)18-7-8-19(23(13-18)35-6-2)29-24-14-21-22(15-28-24)31(4)27(34)25-20(30(21)3)10-12-36-25;1-30-20-7-4-3-6-19(20)25(32)31(2)22-16-28-24(15-21(22)30)29-18-10-8-17(9-11-18)14-23-26-12-5-13-27-23;1-28-19-6-4-3-5-18(19)24(33)29(2)21-12-25-22(11-20(21)28)26-16-9-7-15(8-10-16)23(32)27-17(13-30)14-31;1-28-19-6-4-3-5-18(19)24(30)29(2)21-15-26-22(14-20(21)28)27-17-9-7-16(8-10-17)13-23-25-11-12-31-23;1-14-11-15(28-4)9-10-17(14)24-21-12-19-20(13-23-21)26(3)22(27)16-7-5-6-8-18(16)25(19)2/h6-9,12,19-21,23H,5,10-11,13-18H2,1-4H3,(H,34,35);5-6,9-12,19-21,23H,4,7-8,13-18H2,1-3H3,(H,33,34);6-11,18-20H,5,12-17H2,1-4H3,(H,31,38)(H,32,33);10-15,18-20H,7-9,16-17H2,1-6H3,(H,31,32);3-4,7-12,17-18,23H,5-6,13-16,19-20H2,1-2H3,(H,30,31);7-8,10,12-15,17H,5-6,9,11,16H2,1-4H3,(H,28,29);3-7,12-13,15-18H,8-11,14H2,1-2H3,(H,28,29);3-12,17,30-31H,13-14H2,1-2H3,(H,25,26)(H,27,32);3-6,14-17H,7-13H2,1-2H3,(H,26,27);5-13H,1-4H3,(H,23,24)/t;;;;23-;17-;;;;/m....00..../s1.

What are the key properties of N-[2-(diethylamino)ethyl]-4-[(5,11-dimethyl-6-oxopyrido[4,3-b][1,4]benzodiazepin-2-yl)amino]-3-ethoxy-N-methylbenzamide;2-[[4-(4,5-dihydro-1,3-oxazol-2-ylmethyl)cyclohexyl]amino]-5,11-dimethylpyrido[4,3-b][1,4]benzodiazepin-6-one;N-(1,3-dihydroxypropan-2-yl)-4-[(5,11-dimethyl-6-oxopyrido[4,3-b][1,4]benzodiazepin-2-yl)amino]benzamide;4-[(5,11-dimethyl-6-oxopyrido[4,3-b][1,4]benzodiazepin-2-yl)amino]-3-ethoxy-N-[2-(4-methylpiperazin-1-yl)ethyl]benzamide;5,11-dimethyl-2-[[4-(pyrimidin-2-ylmethyl)cyclohexyl]amino]pyrido[4,3-b][1,4]benzodiazepin-6-one;5,11-dimethyl-2-[4-[[(3S)-3-pyrrolidin-1-ylpyrrolidin-1-yl]methyl]anilino]pyrido[4,3-b][1,4]benzodiazepin-6-one;13-[2-ethoxy-4-[(3S)-3-ethylpyrrolidine-1-carbonyl]anilino]-2,9-dimethyl-6-oxa-2,9,12-triazatricyclo[8.4.0.03,7]tetradeca-1(14),3(7),4,10,12-pentaen-8-one;5-[2-ethoxy-4-[4-(4-methylpiperazin-1-yl)piperidine-1-carbonyl]anilino]-2,9-dimethyl-2,6,9,12-tetrazatricyclo[9.4.0.03,8]pentadeca-1(11),3,5,7,12,14-hexaen-10-one;2-[2-ethoxy-4-(4-pyrrolidin-1-ylpiperidine-1-carbonyl)anilino]-5,11-dimethylpyrido[4,3-b][1,4]benzodiazepin-6-one;2-(4-methoxy-2-methylanilino)-5,11-dimethylpyrido[4,3-b][1,4]benzodiazepin-6-one?

N-[2-(diethylamino)ethyl]-4-[(5,11-dimethyl-6-oxopyrido[4,3-b][1,4]benzodiazepin-2-yl)amino]-3-ethoxy-N-methylbenzamide;2-[[4-(4,5-dihydro-1,3-oxazol-2-ylmethyl)cyclohexyl]amino]-5,11-dimethylpyrido[4,3-b][1,4]benzodiazepin-6-one;N-(1,3-dihydroxypropan-2-yl)-4-[(5,11-dimethyl-6-oxopyrido[4,3-b][1,4]benzodiazepin-2-yl)amino]benzamide;4-[(5,11-dimethyl-6-oxopyrido[4,3-b][1,4]benzodiazepin-2-yl)amino]-3-ethoxy-N-[2-(4-methylpiperazin-1-yl)ethyl]benzamide;5,11-dimethyl-2-[[4-(pyrimidin-2-ylmethyl)cyclohexyl]amino]pyrido[4,3-b][1,4]benzodiazepin-6-one;5,11-dimethyl-2-[4-[[(3S)-3-pyrrolidin-1-ylpyrrolidin-1-yl]methyl]anilino]pyrido[4,3-b][1,4]benzodiazepin-6-one;13-[2-ethoxy-4-[(3S)-3-ethylpyrrolidine-1-carbonyl]anilino]-2,9-dimethyl-6-oxa-2,9,12-triazatricyclo[8.4.0.03,7]tetradeca-1(14),3(7),4,10,12-pentaen-8-one;5-[2-ethoxy-4-[4-(4-methylpiperazin-1-yl)piperidine-1-carbonyl]anilino]-2,9-dimethyl-2,6,9,12-tetrazatricyclo[9.4.0.03,8]pentadeca-1(11),3,5,7,12,14-hexaen-10-one;2-[2-ethoxy-4-(4-pyrrolidin-1-ylpiperidine-1-carbonyl)anilino]-5,11-dimethylpyrido[4,3-b][1,4]benzodiazepin-6-one;2-(4-methoxy-2-methylanilino)-5,11-dimethylpyrido[4,3-b][1,4]benzodiazepin-6-one has a molecular weight of 4855.98 g/mol, XLogP of 43.00, 58 rotatable bonds, 14 hydrogen bond donors, and 68 hydrogen bond acceptors.

Where does this data come from?

All data for N-[2-(diethylamino)ethyl]-4-[(5,11-dimethyl-6-oxopyrido[4,3-b][1,4]benzodiazepin-2-yl)amino]-3-ethoxy-N-methylbenzamide;2-[[4-(4,5-dihydro-1,3-oxazol-2-ylmethyl)cyclohexyl]amino]-5,11-dimethylpyrido[4,3-b][1,4]benzodiazepin-6-one;N-(1,3-dihydroxypropan-2-yl)-4-[(5,11-dimethyl-6-oxopyrido[4,3-b][1,4]benzodiazepin-2-yl)amino]benzamide;4-[(5,11-dimethyl-6-oxopyrido[4,3-b][1,4]benzodiazepin-2-yl)amino]-3-ethoxy-N-[2-(4-methylpiperazin-1-yl)ethyl]benzamide;5,11-dimethyl-2-[[4-(pyrimidin-2-ylmethyl)cyclohexyl]amino]pyrido[4,3-b][1,4]benzodiazepin-6-one;5,11-dimethyl-2-[4-[[(3S)-3-pyrrolidin-1-ylpyrrolidin-1-yl]methyl]anilino]pyrido[4,3-b][1,4]benzodiazepin-6-one;13-[2-ethoxy-4-[(3S)-3-ethylpyrrolidine-1-carbonyl]anilino]-2,9-dimethyl-6-oxa-2,9,12-triazatricyclo[8.4.0.03,7]tetradeca-1(14),3(7),4,10,12-pentaen-8-one;5-[2-ethoxy-4-[4-(4-methylpiperazin-1-yl)piperidine-1-carbonyl]anilino]-2,9-dimethyl-2,6,9,12-tetrazatricyclo[9.4.0.03,8]pentadeca-1(11),3,5,7,12,14-hexaen-10-one;2-[2-ethoxy-4-(4-pyrrolidin-1-ylpiperidine-1-carbonyl)anilino]-5,11-dimethylpyrido[4,3-b][1,4]benzodiazepin-6-one;2-(4-methoxy-2-methylanilino)-5,11-dimethylpyrido[4,3-b][1,4]benzodiazepin-6-one is sourced from PubChem (CID 160903862), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).